SCHEMBL9964867

SCHEMBL9964867

Cn1nnnc1-c1ccc(-c2ccc3c(c2)C[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
MAOA P21397 16/20 0.34
MAOB P27338 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14069356 1.00 KCNH2 (0.34) KCNH2MAOAMAOBCYP3A4CYP2D6
SCHEMBL14069340 0.88 MAOA (0.41) MAOACYP3A4CYP2D6
SCHEMBL9930143 0.88 MAOA (0.41) MAOACYP3A4CYP2D6
SCHEMBL13429587 0.88 KCNH2 (0.37) KCNH2MAOAMAOB
SCHEMBL14069362 0.88 MAOA (0.41) KCNH2MAOAMAOBCYP3A4
SCHEMBL9930363 0.88 MAOA (0.41) KCNH2MAOAMAOBCYP3A4
SCHEMBL9930802 0.88 MAOA (0.41) KCNH2MAOAMAOBCYP3A4
SCHEMBL13429589 0.88 KCNH2 (0.46) KCNH2MAOAMAOB
SCHEMBL13429590 0.88 KCNH2 (0.37) KCNH2MAOAMAOB
SCHEMBL9964789 0.84 MAOA (0.35) KCNH2MAOAMAOBCYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 KCNH2 1295/4885MAOA 1058/4885MAOB 761/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.